butyl 3-[(4-cyanophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: butyl 3-[(4-cyanophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 3-[(4-cyanophenyl)carbamoyl]-2-isobutyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-cyanoanilino)-oxomethyl]-2-(2-methylpropyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-[(4-cyanophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-[(4-cyanophenyl)carbamoyl]-2-isobutyl-thiazolidine-4-carboxylic acid butyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)NC2=CC=C(C=C2)C#N)CC(C)C

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)NC2=CC=C(C=C2)C#N)CC(C)C

InChI

InChI=1S/C20H27N3O3S/c1-4-5-10-26-19(24)17-13-27-18(11-14(2)3)23(17)20(25)22-16-8-6-15(12-21)7-9-16/h6-9,14,17-18H,4-5,10-11,13H2,1-3H3,(H,22,25)